| CAS Number | 1283108-15-5 |
| Catalog Number | AG01APNN(AGN-PC-0WCOEP) |
| Chemical Name | Methyl 2-(dibromomethyl)-5-fluorobenzoate |
| IUPAC Name | methyl 2-(dibromomethyl)-5-fluorobenzoate |
| InChI | InChI=1S/C9H7Br2FO2/c1-14-9(13)7-4-5(12)2-3-6(7)8(10)11/h2-4,8H,1H3 |
| InChI Key | PBSWHAFPOGGXEV-UHFFFAOYSA-N |
| MDL Number | MFCD21092027 |
| Molecular Formula | C9H7Br2FO2 |
| Molecular Weight | 325.9571 |
| SMILES | BrC(C1=C(C(=O)OC)C=C(C=C1)F)Br |
| Synonyms | methyl 2-(dibromomethyl)-5-fluorobenzoate,
1283108-15-5,
AKOS015957593,
ZINC100494595,
MCULE-3716836846,
L-3387,
F2196-0076,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.878g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.959g/mol |
| Monoisotopic Mass | 323.88g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number